CALCIUM SULFATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | CALCIUM SULFATE |
| CAS number: | 7778-18-9 |
| INS: | 516 |
| Functional Class: |
Food Additives SEQUESTRANT FIRMING_AGENT FLOUR_TREATMENT_AGENT YEAST_FOOD |
From apps.who.int
Evaluations
| Evaluation year: | 1973 |
| ADI: | NOT LIMITED |
| Meeting: | 17 |
| Specs Code: | R (1975) |
| Report: | NMRS 53/TRS 539-JECFA 17/37 |
| Tox Monograph: | FAS 5/NMRS 53A-JECFA 17/415 |
| Specification: | COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/67 (METALS LIMITS) (2004); FAO JECFA Monographs 1 vol.1/271 |
From apps.who.int
GSFA Provisions for CALCIUM SULFATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 06.4.2 | Dried pastas and noodles and like products |
GMP | Note 256 |
| 04.2.2.1 | Frozen vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
GMP | Note 323,Note 324,Note 29 |
| 01.4.1 | Pasteurized cream (plain) |
GMP | Note 236 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 24497 |
| IUPAC Name | calcium;sulfate |
| InChI | InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 |
| InChI Key | OSGAYBCDTDRGGQ-UHFFFAOYSA-L |
| Canonical SMILES | [O-]S(=O)(=O)[O-].[Ca+2] |
| Molecular Formula | CaSO4· nH2O (n = 0 or 2) |
| Wikipedia | calcium sulfate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 136.134 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 62.2 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O A B A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A D A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 88.6 |
| Monoisotopic Mass | 135.914 |
| Exact Mass | 135.914 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Alkaline earth metal oxoanionic compounds |
| Subclass | Alkaline earth metal sulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkaline earth metal sulfates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Alkaline earth metal sulfate - Inorganic calcium salt - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal. |
From ClassyFire